Geometry & MOs

Info

ID:

178285

PubChem CID:

76308476

Reduced:

SN2F3O7H23C30 (1)

Stoich.:

AB2C3D7E23F30 (1)

Weight, g/mol:

680.105191

ΔHf, kcal/mol:

-334.13

Dipole, Da:

8.33

IP(EA), eV:

 -8.68(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-acetyloxy-4-[(E)-3-oxo-3-[trifluoromethyl-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]naphthalen-1-yl]amino]prop-1-enyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)N(C2=CC=CC3=C2C=CC=C3S(=O)(=O)NC4=CC=CC=C4)C(F)(F)F)OC(=O)C

DOS

IR

Vibrations